I wish to know methods to calculate a particular entity which has to be calculated (computed) a high number of times in order to make my computation of the system quick and in realistic time. What is the best place to ask such questions since chem tour says no to computation questions?
From my understanding of the current guidelines here:
If the question you are asking is directly related to the chemical/physical theory behind a calculation, it is perfectly fine to ask here. Examples:
- Canonical MOs vs. Localized MOs: Do both represent reality in the same way?
- What's the difference between PBE and B3LYP methods?
If your question is about a particular algorithm that is used in computational chemistry, but not directly related to chemical/physical theory (i.e. it's more of a chemistry-themed math/programming question than a Chemistry question), you may find someone who can answer the question here, but might be better off on Matter Modeling, Computational Science, or Math SE (probably in that order if it is commonly used in computational chemistry). Examples:
If your question is specifically about how some software works or about troubleshooting some input, you are best off going directly to customer support or a forum for that service. However, Matter Modeling has also shown a tendency to accept these types of questions, at least so far.
For your particular example, I think it fits into the first case, provided you can formulate your question so it isn't too broad and gives some info on where you have looked (journals, texts, conversations with professors) for an answer.